4',5-bisdeoxy-dothistromin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000924
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000924 contains the MS2 mass spectrum of 4',5-bisdeoxy-dothistromin with the InChIkey MFMARNFPIVNIHS-QZTJIDSGSA-N.
Source: 4',5-bisdeoxy-dothistromin
Chemical Info
| InChI | InChI=1S/C18H12O7/c19-9-3-1-2-7-11(9)15(21)12-8(14(7)20)6-10-13(16(12)22)18(23)4-5-24-17(18)25-10/h1-3,6,17,19,22-23H,4-5H2/t17-,18-/m1/s1 |
|---|---|
| SMILES | OC1=C(C(C2=C(O)C=CC=C2C3=O)=O)C3=CC(O4)=C1[C@@]5(O)[C@@H]4OCC5 |
| InChI Key | MFMARNFPIVNIHS-QZTJIDSGSA-N |
| Molecular Formula | C18H12O7 |
| Exact Mass | 340.058 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 0a6ce4e8-10e7-40c4-9ab5-1a6be39356c5 |
| Package id | msbnk-aafc-ac000924 |
| Resource type | HTML |
| State | active |